2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine

C10H18F3NO — CID 103274363

IUPAC2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine
SMILESNCCC1(OCCCC(F)(F)F)CCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-2-8-15-9(6-7-14)3-1-4-9/h1-8,14H2
InChIKeyYYYMFOXJLBGGHY-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds6

About 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine

2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine (PubChem CID 103274363) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine
PubChem CID103274363
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine
SMILESNCCC1(OCCCC(F)(F)F)CCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-2-8-15-9(6-7-14)3-1-4-9/h1-8,14H2
InChIKeyYYYMFOXJLBGGHY-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine?
The IUPAC name of 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine (CID 103274363) is 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine is NCCC1(OCCCC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine?
The InChIKey is YYYMFOXJLBGGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-2-8-15-9(6-7-14)3-1-4-9/h1-8,14H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine?
2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103274363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).